| SpectraBase Spectrum ID |
5NTb6sM4Mn2 |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.323959893 u |
| Formula |
C25H44O4 |
| InChI |
InChI=1S/C25H44O4/c1-4-7-8-9-10-11-12-13-16-19-28-24(26)22-17-14-15-18-23(22)25(27)29-20-21(5-2)6-3/h14-15,21-23H,4-13,16-20H2,1-3H3 |
| InChIKey |
PLOSKGOPHJXHBL-UHFFFAOYSA-N |
| Molecular Weight |
408.623 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCC(CC)CC)=O)C(=O)OCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857022 |
